5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile

C46H48F4N8O6 — CID 162438697

About 5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile

5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 162438697) has the molecular formula C46H48F4N8O6 and a molecular weight of 884.93 g/mol. Its IUPAC name is 5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile
• PubChem CID: 162438697
• Molecular Formula: C46H48F4N8O6
• Molecular Weight: 884.93 g/mol
• Exact Mass: 884.36
• IUPAC Name: 5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile
• SMILES: CC1(C)C(Oc2cnc(C#N)c(C(F)(F)F)c2)C(C)(C)C1N1Cc2cc(N3CCN(CC4(F)CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)ccc2C1=O
• InChI: InChI=1S/C46H48F4N8O6/c1-43(2)41(44(3,4)42(43)64-29-21-33(46(48,49)50)34(22-51)52-23-29)57-24-26-19-27(5-7-30(26)38(57)61)56-17-15-54(16-18-56)25-45(47)11-13-55(14-12-45)28-6-8-31-32(20-28)40(63)58(39(31)62)35-9-10-36(59)53-37(35)60/h5-8,19-21,23,35,41-42H,9-18,24-25H2,1-4H3,(H,53,59,60)
• InChIKey: JISCIUUIQTXQJB-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 159.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	884.93
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile?

The IUPAC name of 5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile (CID 162438697) is 5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile.

What is the SMILES notation for 5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile?

The canonical SMILES for 5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile is CC1(C)C(Oc2cnc(C#N)c(C(F)(F)F)c2)C(C)(C)C1N1Cc2cc(N3CCN(CC4(F)CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)ccc2C1=O.

What is the InChIKey of 5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile?

The InChIKey is JISCIUUIQTXQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48F4N8O6/c1-43(2)41(44(3,4)42(43)64-29-21-33(46(48,49)50)34(22-51)52-23-29)57-24-26-19-27(5-7-30(26)38(57)61)56-17-15-54(16-18-56)25-45(47)11-13-55(14-12-45)28-6-8-31-32(20-28)40(63)58(39(31)62)35-9-10-36(59)53-37(35)60/h5-8,19-21,23,35,41-42H,9-18,24-25H2,1-4H3,(H,53,59,60).

What are the key properties of 5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile?

5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 884.93 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,2,4,4-tetramethylcyclobutyl]oxy-3-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 162438697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).